CID 501448

3-[4-[(6-aminopurin-9-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol

Structural Information

Molecular Formula
C14H21N5O3
SMILES
CC1(OCC(O1)(CCCO)CN2C=NC3=C(N=CN=C32)N)C
InChI
InChI=1S/C14H21N5O3/c1-13(2)21-7-14(22-13,4-3-5-20)6-19-9-18-10-11(15)16-8-17-12(10)19/h8-9,20H,3-7H2,1-2H3,(H2,15,16,17)
InChIKey
CCZBNLBPVDJKDY-UHFFFAOYSA-N
Compound name
3-[4-[(6-aminopurin-9-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.16443 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17171 167.1
[M+Na]+ 330.15365 177.2
[M-H]- 306.15715 170.1
[M+NH4]+ 325.19825 181.5
[M+K]+ 346.12759 175.5
[M+H-H2O]+ 290.16169 159.1
[M+HCOO]- 352.16263 183.8
[M+CH3COO]- 366.17828 178.2
[M+Na-2H]- 328.13910 171.9
[M]+ 307.16388 171.2
[M]- 307.16498 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.